K801-0748 Screening compound: ethyl 2-({[4-(diethylamino)phenyl]methyl}amino)-3-[(2,5-dimethoxyphenyl)carbamoyl]-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

K801-0748 Screening compound: ethyl 2-({[4-(diethylamino)phenyl]methyl}amino)-3-[(2,5-dimethoxyphenyl)carbamoyl]-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate
K801-0748 Screening compound: ethyl 2-({[4-(diethylamino)phenyl]methyl}amino)-3-[(2,5-dimethoxyphenyl)carbamoyl]-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K801-0748
ethyl 2-({[4-(diethylamino)phenyl]methyl}amino)-3-[(2,5-dimethoxyphenyl)carbamoyl]-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K801-0748

Molecular Formula

C30H38N4O5S (C30 H38 N4 O5 S)

Compound Name

ethyl 2-({[4-(diethylamino)phenyl]methyl}amino)-3-[(2,5-dimethoxyphenyl)carbamoyl]-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate

IUPAC name

ethyl 2-({[4-(diethylamino)phenyl]methyl}amino)-3-[(25-dimethoxyphenyl)carbamoyl]-4H5H6H7H-thieno[23-c]pyridine-6-carboxylate

SMILES

CCN(CC)c1ccc(CNc2c(C(Nc(cc(cc3)OC)c3OC)=O)c(CCN(C3)C(OCC)=O)c3s2)cc1

InChI

InChI=1S/C30H38N4O5S/c1-6-33(7-2)21-11-9-20(10-12-21)18-31-29-27(23-15-16-34(19-26(23)40-29)30(36)39-8-3)28(35)32-24-17-22(37-4)13-14-25(24)38-5/h9-14,17,31H,6-8,15-16,18-19H2,1-5H3,(H,32,35)

InChI Key

NOXZQCALWUEYKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.368

Distribution Coefficient, logD

5.064

Water Solubility, LogSw

-5.51

Polar Surface Area

73.205

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

9.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K801-0748 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K801-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K801-0748?
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What is the minimum amount of K801-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K801-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K801-0748
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K801-0748 available by request